3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]-2-furyl]benzoic acid Formula: C21H12N2O3S MolecularWeight: 372.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C#N

InChI

InChI=1S/C21H12N2O3S/c22-12-15(20-23-17-6-1-2-7-19(17)27-20)11-16-8-9-18(26-16)13-4-3-5-14(10-13)21(24)25/h1-11H,(H,24,25)/b15-11+